2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide

C9H6Cl2F3NO2 — CID 81340977

IUPAC2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCC(F)(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2F3NO2/c10-5-1-2-6(7(11)3-5)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyWNMHAABEUKRLKQ-UHFFFAOYSA-N
MW288.05 g/mol
LogP3.22
Rot. Bonds3

About 2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide

2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 81340977) has the molecular formula C9H6Cl2F3NO2 and a molecular weight of 288.05 g/mol. Its IUPAC name is 2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
PubChem CID81340977
Molecular FormulaC9H6Cl2F3NO2
Molecular Weight288.05 g/mol
Exact Mass286.97
IUPAC Name2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCC(F)(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2F3NO2/c10-5-1-2-6(7(11)3-5)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyWNMHAABEUKRLKQ-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.05
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate
CID 86120653
3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81435190
1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea
CID 112700262
3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 113364345
1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 43799481
2-chloro-6-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340114
2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide
CID 114374002
2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496955
2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 81341001
5-amino-2-bromo-N-(2,2,2-trifluoroethoxy)benzamide
CID 82721457
5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 103793439
4-bromo-2-methoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81339730

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide (CID 81340977) is 2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide is O=C(NOCC(F)(F)F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is WNMHAABEUKRLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3NO2/c10-5-1-2-6(7(11)3-5)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of 2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide?
2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 288.05 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 81340977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).